[4-[(5-chloro-2-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hex-1-ynylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyrazine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone

C202H190Cl3N25O29S7 — CID 158729786

IUPAC[4-[(5-chloro-2-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hex-1-ynylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyrazine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
SMILESCCCCC#Cc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.COc1cccc(C(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.COc1cccc(O)c1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.Cc1cc(O)c(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1Cl.Cc1cccc(C(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)n1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(C(=O)c2ccc(Cl)nc2Cl)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C34H35N3O3S.C29H28ClN3O4S.C29H27N3O5S.C29H29N3O5S.C28H26N4O4S.C27H22Cl2N4O4S.C26H23N5O4S/c1-2-3-4-5-8-27-12-14-28(15-13-27)25-36-21-23-37(24-22-36)34(38)31-18-16-29(17-19-31)26-41(39,40)32-11-6-9-30-10-7-20-35-33(30)32;1-20-16-26(34)24(17-25(20)30)18-32-12-14-33(15-13-32)29(35)23-9-7-21(8-10-23)19-38(36,37)27-6-2-4-22-5-3-11-31-28(22)27;1-37-25-8-2-6-24(19-25)29(34)32-17-15-31(16-18-32)28(33)23-12-10-21(11-13-23)20-38(35,36)26-9-3-5-22-7-4-14-30-27(22)26;1-37-26-8-3-7-25(33)24(26)19-31-15-17-32(18-16-31)29(34)23-12-10-21(11-13-23)20-38(35,36)27-9-2-5-22-6-4-14-30-28(22)27;1-20-5-2-8-24(30-20)28(34)32-17-15-31(16-18-32)27(33)23-12-10-21(11-13-23)19-37(35,36)25-9-3-6-22-7-4-14-29-26(22)25;28-23-11-10-21(25(29)31-23)27(35)33-15-13-32(14-16-33)26(34)20-8-6-18(7-9-20)17-38(36,37)22-5-1-3-19-4-2-12-30-24(19)22;32-25(30-13-15-31(16-14-30)26(33)22-17-27-11-12-28-22)21-8-6-19(7-9-21)18-36(34,35)23-5-1-3-20-4-2-10-29-24(20)23/h6-7,9-20H,2-4,21-26H2,1H3;2-11,16-17,34H,12-15,18-19H2,1H3;2-14,19H,15-18,20H2,1H3;2-14,33H,15-20H2,1H3;2-14H,15-19H2,1H3;1-12H,13-17H2;1-12,17H,13-16,18H2
InChIKeyIKYJJCFOWXCSFR-UHFFFAOYSA-N
MW3762.72 g/mol
LogP28.85
Rot. Bonds42

About [4-[(5-chloro-2-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hex-1-ynylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyrazine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone

[4-[(5-chloro-2-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hex-1-ynylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyrazine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (PubChem CID 158729786) has the molecular formula C202H190Cl3N25O29S7 and a molecular weight of 3762.72 g/mol. Its IUPAC name is [4-[(5-chloro-2-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hex-1-ynylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyrazine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[(5-chloro-2-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hex-1-ynylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyrazine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
PubChem CID158729786
Molecular FormulaC202H190Cl3N25O29S7
Molecular Weight3762.72 g/mol
Exact Mass3758.13
IUPAC Name[4-[(5-chloro-2-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hex-1-ynylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyrazine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
SMILESCCCCC#Cc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.COc1cccc(C(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.COc1cccc(O)c1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.Cc1cc(O)c(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1Cl.Cc1cccc(C(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)n1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(C(=O)c2ccc(Cl)nc2Cl)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C34H35N3O3S.C29H28ClN3O4S.C29H27N3O5S.C29H29N3O5S.C28H26N4O4S.C27H22Cl2N4O4S.C26H23N5O4S/c1-2-3-4-5-8-27-12-14-28(15-13-27)25-36-21-23-37(24-22-36)34(38)31-18-16-29(17-19-31)26-41(39,40)32-11-6-9-30-10-7-20-35-33(30)32;1-20-16-26(34)24(17-25(20)30)18-32-12-14-33(15-13-32)29(35)23-9-7-21(8-10-23)19-38(36,37)27-6-2-4-22-5-3-11-31-28(22)27;1-37-25-8-2-6-24(19-25)29(34)32-17-15-31(16-18-32)28(33)23-12-10-21(11-13-23)20-38(35,36)26-9-3-5-22-7-4-14-30-27(22)26;1-37-26-8-3-7-25(33)24(26)19-31-15-17-32(18-16-31)29(34)23-12-10-21(11-13-23)20-38(35,36)27-9-2-5-22-6-4-14-30-28(22)27;1-20-5-2-8-24(30-20)28(34)32-17-15-31(16-18-32)27(33)23-12-10-21(11-13-23)19-37(35,36)25-9-3-6-22-7-4-14-29-26(22)25;28-23-11-10-21(25(29)31-23)27(35)33-15-13-32(14-16-33)26(34)20-8-6-18(7-9-20)17-38(36,37)22-5-1-3-19-4-2-12-30-24(19)22;32-25(30-13-15-31(16-14-30)26(33)22-17-27-11-12-28-22)21-8-6-19(7-9-21)18-36(34,35)23-5-1-3-20-4-2-10-29-24(20)23/h6-7,9-20H,2-4,21-26H2,1H3;2-11,16-17,34H,12-15,18-19H2,1H3;2-14,19H,15-18,20H2,1H3;2-14,33H,15-20H2,1H3;2-14H,15-19H2,1H3;1-12H,13-17H2;1-12,17H,13-16,18H2
InChIKeyIKYJJCFOWXCSFR-UHFFFAOYSA-N
XLogP28.85
TPSA672.82 Ų
H-Bond Donors2
H-Bond Acceptors43
Rotatable Bonds42
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003762.72
LogP ≤ 528.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [4-[(5-chloro-2-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hex-1-ynylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyrazine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone with MolForge

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Related Compounds

[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 149242846
[4-[(4-butylphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-ethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-3,4-dimethoxy-6-methylphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 158183331
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-ethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-fluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-fluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-fluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 159096258
[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
CID 59634824
[4-[(3,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 148989727
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634770
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 158170125
[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone
CID 157091488
[4-[(2-ethylphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 148859589
N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate
CID 162132940
[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
CID 59635033
[4-[(3-isocyanophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 147586583

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-2-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hex-1-ynylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyrazine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The IUPAC name of [4-[(5-chloro-2-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hex-1-ynylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyrazine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (CID 158729786) is [4-[(5-chloro-2-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hex-1-ynylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyrazine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.
What is the SMILES notation for [4-[(5-chloro-2-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hex-1-ynylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyrazine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The canonical SMILES for [4-[(5-chloro-2-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hex-1-ynylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyrazine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone is CCCCC#Cc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.COc1cccc(C(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.COc1cccc(O)c1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.Cc1cc(O)c(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1Cl.Cc1cccc(C(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)n1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(C(=O)c2ccc(Cl)nc2Cl)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of [4-[(5-chloro-2-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hex-1-ynylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyrazine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The InChIKey is IKYJJCFOWXCSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O3S.C29H28ClN3O4S.C29H27N3O5S.C29H29N3O5S.C28H26N4O4S.C27H22Cl2N4O4S.C26H23N5O4S/c1-2-3-4-5-8-27-12-14-28(15-13-27)25-36-21-23-37(24-22-36)34(38)31-18-16-29(17-19-31)26-41(39,40)32-11-6-9-30-10-7-20-35-33(30)32;1-20-16-26(34)24(17-25(20)30)18-32-12-14-33(15-13-32)29(35)23-9-7-21(8-10-23)19-38(36,37)27-6-2-4-22-5-3-11-31-28(22)27;1-37-25-8-2-6-24(19-25)29(34)32-17-15-31(16-18-32)28(33)23-12-10-21(11-13-23)20-38(35,36)26-9-3-5-22-7-4-14-30-27(22)26;1-37-26-8-3-7-25(33)24(26)19-31-15-17-32(18-16-31)29(34)23-12-10-21(11-13-23)20-38(35,36)27-9-2-5-22-6-4-14-30-28(22)27;1-20-5-2-8-24(30-20)28(34)32-17-15-31(16-18-32)27(33)23-12-10-21(11-13-23)19-37(35,36)25-9-3-6-22-7-4-14-29-26(22)25;28-23-11-10-21(25(29)31-23)27(35)33-15-13-32(14-16-33)26(34)20-8-6-18(7-9-20)17-38(36,37)22-5-1-3-19-4-2-12-30-24(19)22;32-25(30-13-15-31(16-14-30)26(33)22-17-27-11-12-28-22)21-8-6-19(7-9-21)18-36(34,35)23-5-1-3-20-4-2-10-29-24(20)23/h6-7,9-20H,2-4,21-26H2,1H3;2-11,16-17,34H,12-15,18-19H2,1H3;2-14,19H,15-18,20H2,1H3;2-14,33H,15-20H2,1H3;2-14H,15-19H2,1H3;1-12H,13-17H2;1-12,17H,13-16,18H2.
What are the key properties of [4-[(5-chloro-2-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hex-1-ynylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyrazine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
[4-[(5-chloro-2-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hex-1-ynylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyrazine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone has a molecular weight of 3762.72 g/mol, XLogP of 28.85, 42 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-2-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hex-1-ynylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyrazine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone is sourced from PubChem (CID 158729786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).